Møller–Plesset perturbation theory
-
Spin-component-scaled second-order Møller–Plesset perturbation theory (SCS-MP2)
SCS-MP2Spin-component-scaled second-order Møller–Plesset perturbation theory (SCS-MP2) とは、MP2 計算をもとに、電子相関の補正をより高精度な QC…